3-ethyl-2-[(E)-2-(furan-2-yl)ethenyl]quinazolin-4-one

C16H14N2O2 — CID 5377736

IUPAC3-ethyl-2-[(E)-2-(furan-2-yl)ethenyl]quinazolin-4-one
SMILESCCn1c(/C=C/c2ccco2)nc2ccccc2c1=O
InChIInChI=1S/C16H14N2O2/c1-2-18-15(10-9-12-6-5-11-20-12)17-14-8-4-3-7-13(14)16(18)19/h3-11H,2H2,1H3/b10-9+
InChIKeyHKRKWFXGIWVLAS-MDZDMXLPSA-N
MW266.30 g/mol
LogP3.18
Rot. Bonds3

About 3-ethyl-2-[(E)-2-(furan-2-yl)ethenyl]quinazolin-4-one

3-ethyl-2-[(E)-2-(furan-2-yl)ethenyl]quinazolin-4-one (PubChem CID 5377736) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-ethyl-2-[(E)-2-(furan-2-yl)ethenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-ethyl-2-[(E)-2-(furan-2-yl)ethenyl]quinazolin-4-one
PubChem CID5377736
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name3-ethyl-2-[(E)-2-(furan-2-yl)ethenyl]quinazolin-4-one
SMILESCCn1c(/C=C/c2ccco2)nc2ccccc2c1=O
InChIInChI=1S/C16H14N2O2/c1-2-18-15(10-9-12-6-5-11-20-12)17-14-8-4-3-7-13(14)16(18)19/h3-11H,2H2,1H3/b10-9+
InChIKeyHKRKWFXGIWVLAS-MDZDMXLPSA-N
XLogP3.18
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-2-[(Z)-2-(3-methylphenyl)ethenyl]quinazolin-4-one
CID 7334704
2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3-ethylquinazolin-4-one
CID 135544846
3-ethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]quinazolin-4-one
CID 3125241
2-[(Z)-2-(1,2-dimethylindol-3-yl)ethenyl]-3-ethylquinazolin-4-one
CID 92912504
3-ethyl-2-[2-(3-nitrophenyl)ethenyl]quinazolin-4-one
CID 629407
2-[(E)-2-(furan-2-yl)ethenyl]-1-undecylbenzimidazole
CID 16999879
8-[(E)-2-(furan-2-yl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione
CID 10854786
2-[2-(1-benzylindol-3-yl)ethenyl]-3-ethylquinazolin-4-one
CID 2870092
3-(2-hydroxyethyl)-2-(2-phenylethenyl)quinazolin-4-one
CID 71374590
2-[2-(furan-2-yl)ethenyl]-1-prop-2-enylbenzimidazole
CID 3162026
2-[(E)-2-(furan-2-yl)ethenyl]-1-(3-methylbutyl)benzimidazole
CID 7574428
2-[2-(furan-2-yl)ethenyl]-1-methylbenzimidazole
CID 2871543

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[(E)-2-(furan-2-yl)ethenyl]quinazolin-4-one?
The IUPAC name of 3-ethyl-2-[(E)-2-(furan-2-yl)ethenyl]quinazolin-4-one (CID 5377736) is 3-ethyl-2-[(E)-2-(furan-2-yl)ethenyl]quinazolin-4-one.
What is the SMILES notation for 3-ethyl-2-[(E)-2-(furan-2-yl)ethenyl]quinazolin-4-one?
The canonical SMILES for 3-ethyl-2-[(E)-2-(furan-2-yl)ethenyl]quinazolin-4-one is CCn1c(/C=C/c2ccco2)nc2ccccc2c1=O.
What is the InChIKey of 3-ethyl-2-[(E)-2-(furan-2-yl)ethenyl]quinazolin-4-one?
The InChIKey is HKRKWFXGIWVLAS-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-2-18-15(10-9-12-6-5-11-20-12)17-14-8-4-3-7-13(14)16(18)19/h3-11H,2H2,1H3/b10-9+.
What are the key properties of 3-ethyl-2-[(E)-2-(furan-2-yl)ethenyl]quinazolin-4-one?
3-ethyl-2-[(E)-2-(furan-2-yl)ethenyl]quinazolin-4-one has a molecular weight of 266.30 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[(E)-2-(furan-2-yl)ethenyl]quinazolin-4-one is sourced from PubChem (CID 5377736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).